Complex Empirical formula

C₆H₄(NH₂)₂∙2HCl (I)

β-[C₆H₁₀N₂]₂ZnCl₄ (II)

Formula weight (g∙mol⁻¹)

181.06

425.47

Crystal system/Space group

Monoclinic, C2/c

Monoclinic, C2/c

Temperature (K)

150

150

Unit cell dimensions

a (Å)

7.284 (9)

7.443 (3)

b (Å)

14.498 (2)

25.598 (1)

c (Å)

7.945 (1)

9.354 (1)

β (˚)

94.676 (5)

94.017 (2)

V (Å3)/Z

836.4 (2)/4

1777.86 (14)/4

Radiation

Mo Kα

Mo Kα

µ (mm⁻¹)

0.703

1.980

h, k, l ranges

−7 ≤ h ≤ 9

−9 ≤ h ≤ 9

−18 ≤ k ≤ 18

−33 ≤ k ≤ 29

−10 ≤ l ≤ 10

−12 ≤ l ≤ 12

Crystal size (mm)

0.58 × 0.51 × 0.35

0.51 × 0.54 × 0.58

Reflections collected/unique/

3745/967/

7007/2003/

observed reflections [I > 2σ(I)]

930

1893

R_int

0.0345

0.0259

(sinθ/λ)_max (Å⁻¹)

0.649

0.649

Structure refinement with

SHELXL-97

SHELXL-97

Goodness of fit

1.333

1.064

Final R and Rw

0.345/0.0983

0.0259/0.0665

Refinement

F² full matrix

F² full matrix

Refined parameters

56

67

Δρ_max, Δρ_min (e Å⁻³)

0.8; −0.694

w = 1/[\s^2^(Fo^2^) + (0.0544P)^2^ + 0.3015P]

where P = (Fo^2^ + 2Fc^2^)/3

0.743; −0.69

w = 1/[\s^2^(Fo^2^) + (0.0309P)^2^ + 3.1449P]

where P = (Fo^2^ + 2Fc^2^)/3